N-(diaminomethylidene)-1,3-oxazole-4-carboxamide

C5H6N4O2 — CID 123728548

IUPACN-(diaminomethylidene)-1,3-oxazole-4-carboxamide
SMILESNC(N)=NC(=O)c1cocn1
InChIInChI=1S/C5H6N4O2/c6-5(7)9-4(10)3-1-11-2-8-3/h1-2H,(H4,6,7,9,10)
InChIKeyBICFOVVRADTXLF-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.91
Rot. Bonds1

About N-(diaminomethylidene)-1,3-oxazole-4-carboxamide

N-(diaminomethylidene)-1,3-oxazole-4-carboxamide (PubChem CID 123728548) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is N-(diaminomethylidene)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1,3-oxazole-4-carboxamide
PubChem CID123728548
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC NameN-(diaminomethylidene)-1,3-oxazole-4-carboxamide
SMILESNC(N)=NC(=O)c1cocn1
InChIInChI=1S/C5H6N4O2/c6-5(7)9-4(10)3-1-11-2-8-3/h1-2H,(H4,6,7,9,10)
InChIKeyBICFOVVRADTXLF-UHFFFAOYSA-N
XLogP-0.91
TPSA107.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1,3-oxazole-4-carboxamide (CID 123728548) is N-(diaminomethylidene)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1,3-oxazole-4-carboxamide is NC(N)=NC(=O)c1cocn1.
What is the InChIKey of N-(diaminomethylidene)-1,3-oxazole-4-carboxamide?
The InChIKey is BICFOVVRADTXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-5(7)9-4(10)3-1-11-2-8-3/h1-2H,(H4,6,7,9,10).
What are the key properties of N-(diaminomethylidene)-1,3-oxazole-4-carboxamide?
N-(diaminomethylidene)-1,3-oxazole-4-carboxamide has a molecular weight of 154.13 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123728548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).